2-amino-2-(dicyclohexylamino)acetonitrile

C14H25N3 — CID 67894602

IUPAC2-amino-2-(dicyclohexylamino)acetonitrile
SMILESN#CC(N)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H25N3/c15-11-14(16)17(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-14H,1-10,16H2
InChIKeyHPVVXEATMIPYFO-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.76
Rot. Bonds3

About 2-amino-2-(dicyclohexylamino)acetonitrile

2-amino-2-(dicyclohexylamino)acetonitrile (PubChem CID 67894602) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-amino-2-(dicyclohexylamino)acetonitrile.

Molecular Properties

Compound Name2-amino-2-(dicyclohexylamino)acetonitrile
PubChem CID67894602
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-amino-2-(dicyclohexylamino)acetonitrile
SMILESN#CC(N)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H25N3/c15-11-14(16)17(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-14H,1-10,16H2
InChIKeyHPVVXEATMIPYFO-UHFFFAOYSA-N
XLogP2.76
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(dicyclohexylamino)acetonitrile?
The IUPAC name of 2-amino-2-(dicyclohexylamino)acetonitrile (CID 67894602) is 2-amino-2-(dicyclohexylamino)acetonitrile.
What is the SMILES notation for 2-amino-2-(dicyclohexylamino)acetonitrile?
The canonical SMILES for 2-amino-2-(dicyclohexylamino)acetonitrile is N#CC(N)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2-amino-2-(dicyclohexylamino)acetonitrile?
The InChIKey is HPVVXEATMIPYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c15-11-14(16)17(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-14H,1-10,16H2.
What are the key properties of 2-amino-2-(dicyclohexylamino)acetonitrile?
2-amino-2-(dicyclohexylamino)acetonitrile has a molecular weight of 235.37 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(dicyclohexylamino)acetonitrile is sourced from PubChem (CID 67894602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).